Warning

You are reading the documentation related to the development version. Go here if you are looking for the documentation of the stable release.

Project creation

In this example, we create a Project from scratch

import spectrochempy as scp

Let’s assume we have three subproject to group in a single project

proj = scp.Project(
    # subprojects
    scp.Project(name="P350", label=r"$\mathrm{M_P}\,(623\,K)$"),
    scp.Project(name="A350", label=r"$\mathrm{M_A}\,(623\,K)$"),
    scp.Project(name="B350", label=r"$\mathrm{M_B}\,(623\,K)$"),
    # attributes
    name="project_1",
    label="main project",
)

assert proj.projects_names == ["P350", "A350", "B350"]

Add for example two datasets to the A350 subproject.

ir = scp.NDDataset([1.1, 2.2, 3.3], coords=[[1, 2, 3]])
print(ir)
tg = scp.NDDataset([1, 3, 4], coords=[[1, 2, 3]])
print(tg)
proj.A350["IR"] = ir
proj.A350["TG"] = tg

NDDataset: [float64] unitless (size: 3)
NDDataset: [float64] unitless (size: 3)

Members of the project or attributes are easily accessed:

print(proj.A350)
print(proj)
print(proj.A350.label)
print(proj.A350.TG)

Project A350:
    ⤷ IR (dataset)
    ⤷ TG (dataset)
Project project_1:
    ⤷ P350 (sub-project)    ⤷ A350 (sub-project)
       ⤷ IR (dataset)
       ⤷ TG (dataset)    ⤷ B350 (sub-project)
$\mathrm{M_A}\,(623\,K)$
NDDataset: [float64] unitless (size: 3)

Save this project

proj.save()

PosixPath('/home/runner/work/spectrochempy/spectrochempy/spectrochempy/examples/core/e_project/project_1.pscp')

RELOAD the project from disk as newproj

newproj = scp.Project.load("project_1")
print(newproj)

assert str(newproj) == str(proj)
assert newproj.A350.label == proj.A350.label

Project project_1:
    ⤷ P350 (sub-project)    ⤷ A350 (sub-project)
       ⤷ IR (dataset)
       ⤷ TG (dataset)    ⤷ B350 (sub-project)

Now we add a script to the original proj

script_source = """
set_loglevel(INFO)
info_('samples contained in the project are:%s'%proj.projects_names)
"""

proj["print_info"] = scp.Script("print_info", script_source)
print(proj)
print("*******************************************")

Project project_1:
    ⤷ P350 (sub-project)    ⤷ A350 (sub-project)
       ⤷ IR (dataset)
       ⤷ TG (dataset)    ⤷ B350 (sub-project)    ⤷ print_info (script)
*******************************************

save but do not change the original data

proj.save(overwrite_data=False)

PosixPath('project_1.pscp')

RELOAD it

newproj = scp.Project.load("project_1")
print(newproj)

Project project_1:
    ⤷ P350 (sub-project)    ⤷ A350 (sub-project)
       ⤷ IR (dataset)
       ⤷ TG (dataset)    ⤷ B350 (sub-project)    ⤷ print_info (script)

Execute a script

scp.run_script(newproj.print_info)

samples contained in the project are:['P350', 'A350', 'B350']

Another way to do the same thing is ith the following syntax (which may seem simpler

newproj.print_info()

samples contained in the project are:['P350', 'A350', 'B350']

Finally lets use a more useful script

script_source_2 = """
proj.A350.TG.plot_scatter(title='my scatter plot')
#show()
"""
proj["tgscatter"] = scp.Script("tgscatter", script_source_2)

proj.tgscatter()

This ends the example ! The following line can be uncommented if no plot shows when running the .py script with python

# scp.show()